(2S)-5-hydroxy-7-methoxy-2-(3-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde
PubChem CID: 162855395
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 82.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5-hydroxy-7-methoxy-2-(3-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OCSJCFZXXRVYIN-HNNXBMFYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -0.292 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.357 |
| Compound Name | (2S)-5-hydroxy-7-methoxy-2-(3-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8618514 |
| Inchi | InChI=1S/C19H18O6/c1-10-17(22)16-14(21)8-15(11-5-4-6-12(7-11)23-2)25-19(16)13(9-20)18(10)24-3/h4-7,9,15,22H,8H2,1-3H3/t15-/m0/s1 |
| Smiles | CC1=C(C2=C(C(=C1OC)C=O)O[C@@H](CC2=O)C3=CC(=CC=C3)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Feddei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Solanum Aculeatissimum (Plant) Rel Props:Source_db:cmaup_ingredients